4-(4-chlorophenyl)piperidine hydrochloride

• ChemBase ID: 288064
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: Clc1ccc(C2CCNCC2)cc1.Cl
• Canonical SMILES: Clc1ccc(cc1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H14ClN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
• InChIKey: KJZPSLZQMISKHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-chlorophenyl)piperidine hydrochloride
• Synonyms: 4-(4-Chlorophenyl)piperidine hydrochloride; 4-(4-Chloro-phenyl)-piperidine hydrochloride

Database IDs

• CAS Number: 6652/6/8; 6652-06-8
• MDL Number: MFCD02178903
• PubChem SID: 180673595
• PubChem CID: 2757843

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5393599
• LogD (pH = 7.4): 0.12103672
• Log P: 2.6823554
• Molar Refractivity: 56.2838 cm^3
• Polarizability: 22.115877 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%